# Latest **URL:** https://aiida.discourse.group/latest.md?page=2 [Latest](https://aiida.discourse.group/latest.md) · [Categories](https://aiida.discourse.group/categories.md) · [Tags](https://aiida.discourse.group/tags.md) **Page:** 3 --- ## [Error 305 on tutorial pw.x simulation](https://aiida.discourse.group/t/error-305-on-tutorial-pw-x-simulation/620)
**Author:** [@DoctorMushy](https://aiida.discourse.group/u/DoctorMushy)\ **Replies:** 0\ **Last updated:** [June 9, 2025, 9:10am UTC](https://aiida.discourse.group/t/error-305-on-tutorial-pw-x-simulation/620 "2025-06-09T09:10:58Z")
Hi all, I’m trying my first QE calculation within Quantum Mobile. I’ve been following Running external codes — AiiDA Tutorials and after a few attempts cannot get a successful simulation. I believe this is a result of '… --- ## [Problem with verdi archive import](https://aiida.discourse.group/t/problem-with-verdi-archive-import/615)
**Author:** [@simonpintarelli](https://aiida.discourse.group/u/simonpintarelli)\ **Replies:** 1\ **Last updated:** [June 3, 2025, 10:24am UTC](https://aiida.discourse.group/t/problem-with-verdi-archive-import/615 "2025-06-03T10:24:57Z")
Hello, I’ve installed aiida 2.6.4 with rabbitmq, without postgres using Python 3.12 (verdi presto) It first looked like the database got corrupted. The previously successfully import archive couldn’t be browsed anymor… --- ## [QueryBuilder search for multiple with\_incoming](https://aiida.discourse.group/t/querybuilder-search-for-multiple-with-incoming/616)
**Author:** [@simonpintarelli](https://aiida.discourse.group/u/simonpintarelli)\ **Replies:** 2\ **Last updated:** [May 27, 2025, 5:08pm UTC](https://aiida.discourse.group/t/querybuilder-search-for-multiple-with-incoming/616 "2025-05-27T17:08:04Z")
Is it possible to filter for multiple conditions in with\_incoming? For example, I’d like to extend the following query to consider CalcJobNodes that have been produced by a given code using a given structure as input: q… --- ## [High RAM usage during archive import](https://aiida.discourse.group/t/high-ram-usage-during-archive-import/614)
**Author:** [@eimrek](https://aiida.discourse.group/u/eimrek)\ **Replies:** 3\ **Last updated:** [May 21, 2025, 9:35pm UTC](https://aiida.discourse.group/t/high-ram-usage-during-archive-import/614 "2025-05-21T21:35:35Z")
I’m running into the same problem as a few years ago: Testing of v2.0.0a1 (archive migration) · aiidateam · Discussion #5407 · GitHub Basically, when importing the SSSP archive (sssp-infos.aiida from Materials Cloud Arc… --- ## [Warning about SQL](https://aiida.discourse.group/t/warning-about-sql/593)
**Author:** [@gsavva](https://aiida.discourse.group/u/gsavva)\ **Replies:** 4\ **Last updated:** [May 16, 2025, 9:32am UTC](https://aiida.discourse.group/t/warning-about-sql/593 "2025-05-16T09:32:43Z")
Hi aiida team, after updating aiida-quantumespresso to 4.9.0 and aiida-core to 2.6.3, I’ve been getting the following warnings: /home/anaconda3/envs/aiida/lib/python3.9/site-packages/aiida/storage/psql\_dos/orm/utils.py… --- ## [SQLAlchemy Error After an Abnormal Restart](https://aiida.discourse.group/t/sqlalchemy-error-after-an-abnormal-restart/613)
**Author:** [@YuhaoJiang](https://aiida.discourse.group/u/YuhaoJiang)\ **Replies:** 7\ **Last updated:** [May 15, 2025, 3:53am UTC](https://aiida.discourse.group/t/sqlalchemy-error-after-an-abnormal-restart/613 "2025-05-15T03:53:53Z")
Hi all, After an abnormal computer restart, I found that I cannot properly run any workflows, and the existing node data remains accessible. Submitted workflows have a high probability of getting stuck. I’ve uploaded t… --- ## [Regarding GSoC 2025 result](https://aiida.discourse.group/t/regarding-gsoc-2025-result/611)
**Author:** [@Ayush\_Kumar](https://aiida.discourse.group/u/Ayush_Kumar)\ **Replies:** 2\ **Last updated:** [May 10, 2025, 4:52am UTC](https://aiida.discourse.group/t/regarding-gsoc-2025-result/611 "2025-05-10T04:52:10Z")
Are the GSoC 2025 contributors announced? --- ## [Find pseudo family from pseudo](https://aiida.discourse.group/t/find-pseudo-family-from-pseudo/610)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 2\ **Last updated:** [May 8, 2025, 6:08pm UTC](https://aiida.discourse.group/t/find-pseudo-family-from-pseudo/610 "2025-05-08T18:08:40Z")
I am wanting to find what pseudo family a particular pseudo might have come from and I’m guessing the best way to do this would be through using the PK associated with the pseudo unless of course I’m missing where it’s l… --- ## [PhD Opportunity: Autonomous simulations+experiments (PSI/EPFL, Switzerland)](https://aiida.discourse.group/t/phd-opportunity-autonomous-simulations-experiments-psi-epfl-switzerland/609)
**Author:** [@giovannipizzi](https://aiida.discourse.group/u/giovannipizzi)\ **Replies:** 0\ **Last updated:** [May 7, 2025, 9:20pm UTC](https://aiida.discourse.group/t/phd-opportunity-autonomous-simulations-experiments-psi-epfl-switzerland/609 "2025-05-07T21:20:44Z")
The Paul Scherrer Institute PSI (www.psi.ch), in collaboration with the EDMX doctoral school in Materials Science and Engineering at EPFL (www.epfl.ch), is seeking a highly motivated PhD student for an exciting project o… --- ## [Unnable to connect to broker issue (Aiida 2.6.1)](https://aiida.discourse.group/t/unnable-to-connect-to-broker-issue-aiida-2-6-1/608)
**Author:** [@jgarridoa](https://aiida.discourse.group/u/jgarridoa)\ **Replies:** 1\ **Last updated:** [May 6, 2025, 8:15pm UTC](https://aiida.discourse.group/t/unnable-to-connect-to-broker-issue-aiida-2-6-1/608 "2025-05-06T20:15:24Z")
Dear everyone I am using Aiida 2.6.1. After a power shortage, my computer turned off. After restarting, I had to turn on again the database and Rabbitmq. This is my verdi status output: (aiida) jgarridoa@fatnode-tacn:~… --- ## [File configuration on windows11](https://aiida.discourse.group/t/file-configuration-on-windows11/569)
**Author:** [@Joker](https://aiida.discourse.group/u/Joker)\ **Replies:** 1\ **Last updated:** [May 5, 2025, 10:02am UTC](https://aiida.discourse.group/t/file-configuration-on-windows11/569 "2025-05-05T10:02:33Z")
I have downloaded aiida-core in the Python 3.9 virtual environment. However, I can’t use verdi status or verdi profile setup , which means I can’t configure the files. Currently, I’m unable to connect to the RabbitMQ ser… --- ## [Memory usage FolderData.open](https://aiida.discourse.group/t/memory-usage-folderdata-open/524)
**Author:** [@ahkole](https://aiida.discourse.group/u/ahkole)\ **Replies:** 22\ **Last updated:** [April 30, 2025, 2:04pm UTC](https://aiida.discourse.group/t/memory-usage-folderdata-open/524 "2025-04-30T14:04:06Z")
I am trying to retrieve data from a large file that is stored in the repository. It is a text file and I am trying to read it as follows, with folder.open('name.dat') as fh: data = parse(fh) If I read the file like… --- ## [Restarting the QE calculations using the retrieved charge density](https://aiida.discourse.group/t/restarting-the-qe-calculations-using-the-retrieved-charge-density/606)
**Author:** [@abmazitov](https://aiida.discourse.group/u/abmazitov)\ **Replies:** 1\ **Last updated:** [April 29, 2025, 8:55am UTC](https://aiida.discourse.group/t/restarting-the-qe-calculations-using-the-retrieved-charge-density/606 "2025-04-29T08:55:15Z")
Dear Users/Developers, I’m trying to find a way to restart the QE calculation using the saved charge densities file. In the parent calculation, it was gzipped and stored by setting the filename in the additional\_retriev… --- ## [Job Arrays / Task Farming](https://aiida.discourse.group/t/job-arrays-task-farming/604)
**Author:** [@Schastef](https://aiida.discourse.group/u/Schastef)\ **Replies:** 1\ **Last updated:** [April 22, 2025, 10:42am UTC](https://aiida.discourse.group/t/job-arrays-task-farming/604 "2025-04-22T10:42:06Z")
Dear Aiida community, I am currently using a QE workchain in Aiida (specifically aiida\_hubbard) that consists of a “bigger” series of calcjobs – namely a cycle of scf-, vc-relax and hp-calculations. I execute these tas… --- ## [Implementing the Flux scheduler from LLNL](https://aiida.discourse.group/t/implementing-the-flux-scheduler-from-llnl/473)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 11\ **Last updated:** [April 16, 2025, 12:45pm UTC](https://aiida.discourse.group/t/implementing-the-flux-scheduler-from-llnl/473 "2025-04-16T12:45:14Z")
Hello everyone, I am looking to possibly start implementing a scheduler plugin for the Flux scheduler that has been developed here at LLNL. This will be very useful as the next generation of super computers at the lab w… --- ## [Aiida to control instruments with SiLA2.0](https://aiida.discourse.group/t/aiida-to-control-instruments-with-sila2-0/590)
**Author:** [@Dirk](https://aiida.discourse.group/u/Dirk)\ **Replies:** 1\ **Last updated:** [April 11, 2025, 4:12pm UTC](https://aiida.discourse.group/t/aiida-to-control-instruments-with-sila2-0/590 "2025-04-11T16:12:45Z")
Hi everyone, I’m researching the suitability of Aiida for instrument control through the SilA2.0 lab protocol. We are considering Aiida as an orchestrator for an autonomous laboratory. I have looked at some other orches… --- ## [Shared AiiDA environment](https://aiida.discourse.group/t/shared-aiida-environment/602)
**Author:** [@edan-bainglass](https://aiida.discourse.group/u/edan-bainglass)\ **Replies:** 1\ **Last updated:** [April 11, 2025, 3:55pm UTC](https://aiida.discourse.group/t/shared-aiida-environment/602 "2025-04-11T15:55:36Z")
Continuing the discussion from Multiple users on same RabbitMQ and Postgres database: @sphuber I’m trying to set up something similar to what was proposed in the referenced post. I’m doing this by exposing shared servic… --- ## [Supported RabbitMQ versions](https://aiida.discourse.group/t/supported-rabbitmq-versions/392)
**Author:** [@danielhollas](https://aiida.discourse.group/u/danielhollas)\ **Replies:** 13\ **Last updated:** [April 10, 2025, 5:02pm UTC](https://aiida.discourse.group/t/supported-rabbitmq-versions/392 "2025-04-10T17:02:13Z")
The AiiDA documentation currently states RabbitMQ v3.5 and older are end-of-life and are not supported in any way. For RabbitMQ v3.8.15 and up, AiiDA is not compatible with the default configuration of the server. Th… --- ## [Storage corruption when creating new AiiDA instance](https://aiida.discourse.group/t/storage-corruption-when-creating-new-aiida-instance/596)
**Author:** [@gjoalland13](https://aiida.discourse.group/u/gjoalland13)\ **Replies:** 8\ **Last updated:** [April 7, 2025, 7:20am UTC](https://aiida.discourse.group/t/storage-corruption-when-creating-new-aiida-instance/596 "2025-04-07T07:20:48Z")
Hi, While fixing the issue using AiiDaQE in multiple Conda environments, I moved the configuration folder of my environment to a new location and updated the AIIDA\_PATH variable as suggested here. I moved the config dir… --- ## [HarmonicWorkChain fails](https://aiida.discourse.group/t/harmonicworkchain-fails/530)
**Author:** [@Vahid\_Bozorgi](https://aiida.discourse.group/u/Vahid_Bozorgi)\ **Replies:** 17\ **Last updated:** [April 4, 2025, 2:50pm UTC](https://aiida.discourse.group/t/harmonicworkchain-fails/530 "2025-04-04T14:50:17Z")
Hi, I am trying to run the example given in: https://aiida-vibroscopy.readthedocs.io/en/latest/5\_iraman\_functionals.html But the workflow keeps failing. Here is the summary of the relevant section: builder = IRamanSp… --- ## [Understanding the Proposal Review Process for GSoC in AiiDA](https://aiida.discourse.group/t/understanding-the-proposal-review-process-for-gsoc-in-aiida/599)
**Author:** [@Ayush\_Kumar](https://aiida.discourse.group/u/Ayush_Kumar)\ **Replies:** 0\ **Last updated:** [April 3, 2025, 1:24am UTC](https://aiida.discourse.group/t/understanding-the-proposal-review-process-for-gsoc-in-aiida/599 "2025-04-03T01:24:28Z")
Hey mentors, @jusong.yu, @geiger\_j , @ali-khosravi , I’m Ayush, and I’m currently working on my GSoC proposal. Since this is my first time, I’m still figuring out the process. From what I’ve gathered, some organizations… --- ## [RabbitMQ - Unable to connect to rabbitmq with URL: \](https://aiida.discourse.group/t/rabbitmq-unable-to-connect-to-rabbitmq-with-url-not-set/598)
**Author:** [@Schastef](https://aiida.discourse.group/u/Schastef)\ **Replies:** 3\ **Last updated:** [April 2, 2025, 1:53pm UTC](https://aiida.discourse.group/t/rabbitmq-unable-to-connect-to-rabbitmq-with-url-not-set/598 "2025-04-02T13:53:02Z")
Hello there, I am currently getting started with Aiida, and set up some profiles on my workstation. Everything worked, I was able to submit some calculations, but at one point, I lost my connection to RabbitMQ: verdi s… --- ## [Usage of AiiDA-QE in multiple conda environments](https://aiida.discourse.group/t/usage-of-aiida-qe-in-multiple-conda-environments/595)
**Author:** [@gjoalland13](https://aiida.discourse.group/u/gjoalland13)\ **Replies:** 4\ **Last updated:** [April 1, 2025, 2:48pm UTC](https://aiida.discourse.group/t/usage-of-aiida-qe-in-multiple-conda-environments/595 "2025-04-01T14:48:06Z")
Hi, I have different projects that involve the usage of AiiDA for which I have created separate Conda environments. I would like to report an issue that I am facing. I submitted a PwWorkchain calculation using the sscha … --- ## [Google Summer of Code (GSoC) 2025](https://aiida.discourse.group/t/google-summer-of-code-gsoc-2025/550)
**Author:** [@jusong.yu](https://aiida.discourse.group/u/jusong.yu)\ **Replies:** 10\ **Last updated:** [March 28, 2025, 7:03am UTC](https://aiida.discourse.group/t/google-summer-of-code-gsoc-2025/550 "2025-03-28T07:03:01Z")
AiiDA is plan to participate in Google Summer of Code (GSOC) 2025 as the sub-organization under the NumFocus umbrella in 2025. This thread is for any discussions leading up to GSOC 2025. If you’re interested in working … --- ## [Follow up question on multiple users for same database](https://aiida.discourse.group/t/follow-up-question-on-multiple-users-for-same-database/566)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 1\ **Last updated:** [March 21, 2025, 3:24pm UTC](https://aiida.discourse.group/t/follow-up-question-on-multiple-users-for-same-database/566 "2025-03-21T15:24:10Z")
I wanted to report back about my attempts on getting multiple users on the same database and rabbitmq. I was able to follow what was mentioned in the previous post Multiple users on same RabbitMQ and Postgres database. W… --- ## [Disconnection from remote machine, permission denied](https://aiida.discourse.group/t/disconnection-from-remote-machine-permission-denied/583)
**Author:** [@vdemestral](https://aiida.discourse.group/u/vdemestral)\ **Replies:** 2\ **Last updated:** [March 20, 2025, 1:36pm UTC](https://aiida.discourse.group/t/disconnection-from-remote-machine-permission-denied/583 "2025-03-20T13:36:43Z")
Hello, I would like to report an error that started happening when using a new remote machine (alps-daint) Some context information: I have to renew the Alps ssh key every 24h I am able to ssh into Alps in all times … --- ## [Strange behaviour of calcfunctions when many links are generated in outputs](https://aiida.discourse.group/t/strange-behaviour-of-calcfunctions-when-many-links-are-generated-in-outputs/579)
**Author:** [@bastonero](https://aiida.discourse.group/u/bastonero)\ **Replies:** 5\ **Last updated:** [March 14, 2025, 11:26am UTC](https://aiida.discourse.group/t/strange-behaviour-of-calcfunctions-when-many-links-are-generated-in-outputs/579 "2025-03-14T11:26:39Z")
Dear all, I am experiencing a weird behaviour of calcfunction for a method I wrote to extract structures. This method can generate ~10^3 – 10^4 output nodes, and in the provenance graph something very strange happens: .… --- ## [Accessing clusters with 2-factor authentication (Sigma2) using AiiDA](https://aiida.discourse.group/t/accessing-clusters-with-2-factor-authentication-sigma2-using-aiida/538)
**Author:** [@adamg](https://aiida.discourse.group/u/adamg)\ **Replies:** 7\ **Last updated:** [March 13, 2025, 8:01pm UTC](https://aiida.discourse.group/t/accessing-clusters-with-2-factor-authentication-sigma2-using-aiida/538 "2025-03-13T20:01:00Z")
Hello. I have been using AiiDA very extensively in my PhD project to run DFT and MD simulations on the Norwegian HPC clusters (Sigma2) for more than two years now. Basically all my simulations and steps in setting them u… --- ## [How to obtain calculated atomic magnetic moment from public avaliable datasets](https://aiida.discourse.group/t/how-to-obtain-calculated-atomic-magnetic-moment-from-public-avaliable-datasets/571)
**Author:** [@ahxbcn](https://aiida.discourse.group/u/ahxbcn)\ **Replies:** 2\ **Last updated:** [March 12, 2025, 8:41am UTC](https://aiida.discourse.group/t/how-to-obtain-calculated-atomic-magnetic-moment-from-public-avaliable-datasets/571 "2025-03-12T08:41:25Z")
Hello, everyone! I just started to use AiiDA few days ago to retrieve calculated atomic magnetic moment from spin-polarized calculations in publicly avaliable MC3D and MC2D dataset in my research program. I’ve downloaded… --- ## [Verdi computer test, Creating and Deleting Temporary fails when work\_dir is the scratch directory in HPC](https://aiida.discourse.group/t/verdi-computer-test-creating-and-deleting-temporary-fails-when-work-dir-is-the-scratch-directory-in-hpc/575)
**Author:** [@Afnan\_Shahid](https://aiida.discourse.group/u/Afnan_Shahid)\ **Replies:** 1\ **Last updated:** [March 3, 2025, 7:37pm UTC](https://aiida.discourse.group/t/verdi-computer-test-creating-and-deleting-temporary-fails-when-work-dir-is-the-scratch-directory-in-hpc/575 "2025-03-03T19:37:24Z")
Hi, I am new to aiida as well as hpc for highthroughput worklfow, so applogies in advance if I miss something obvious. So, the main issue is, verdi computer test is successful for all but the creation and deletion of t… [Previous page](https://aiida.discourse.group/latest.md?page=1) [Next page](https://aiida.discourse.group/latest.md?page=3)